# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CuPb2Pt # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.389305445e+02 3.389305445e+02 1.30 3.165585930e+02 3.165585930e+02 1.32 2.957018967e+02 2.957018967e+02 1.34 2.762533174e+02 2.762533174e+02 1.36 2.581106445e+02 2.581106445e+02 1.38 2.411743496e+02 2.411743496e+02 1.40 2.253488450e+02 2.253488450e+02 1.42 2.105457260e+02 2.105457260e+02 1.44 1.966863592e+02 1.966863592e+02 1.46 1.837021561e+02 1.837021561e+02 1.48 1.715328958e+02 1.715328958e+02 1.50 1.601242944e+02 1.601242944e+02 1.52 1.494254928e+02 1.494254928e+02 1.54 1.393872015e+02 1.393872015e+02 1.56 1.299613498e+02 1.299613498e+02 1.58 1.211021450e+02 1.211021450e+02 1.60 1.127675350e+02 1.127675350e+02 1.62 1.049200857e+02 1.049200857e+02 1.64 9.752692417e+01 9.752692417e+01 1.66 9.055912525e+01 9.055912525e+01 1.68 8.399125264e+01 8.399125264e+01 1.70 7.780145524e+01 7.780145524e+01 1.72 7.201861786e+01 7.201861786e+01 1.74 6.665566928e+01 6.665566928e+01 1.76 6.168558405e+01 6.168558405e+01 1.78 5.708088575e+01 5.708088575e+01 1.80 5.281370722e+01 5.281370722e+01 1.82 4.885660372e+01 4.885660372e+01 1.84 4.518349215e+01 4.518349215e+01 1.86 4.177027731e+01 4.177027731e+01 1.88 3.859517495e+01 3.859517495e+01 1.90 3.563880698e+01 3.563880698e+01 1.92 3.288415022e+01 3.288415022e+01 1.94 3.031634238e+01 3.031634238e+01 1.96 2.792234157e+01 2.792234157e+01 1.98 2.569049737e+01 2.569049737e+01 2.00 2.361015728e+01 2.361015728e+01 2.02 2.167139970e+01 2.167139970e+01 2.04 1.986489654e+01 1.986489654e+01 2.06 1.818186343e+01 1.818186343e+01 2.08 1.661405156e+01 1.661405156e+01 2.10 1.515374133e+01 1.515374133e+01 2.12 1.379373443e+01 1.379373443e+01 2.14 1.252733257e+01 1.252733257e+01 2.16 1.134831238e+01 1.134831238e+01 2.18 1.025090175e+01 1.025090175e+01 2.20 9.229751983e+00 9.229751983e+00 2.22 8.279912933e+00 8.279912933e+00 2.24 7.396804468e+00 7.396804468e+00 2.26 6.576187163e+00 6.576187163e+00 2.28 5.814132877e+00 5.814132877e+00 2.30 5.106985536e+00 5.106985536e+00 2.32 4.451314889e+00 4.451314889e+00 2.34 3.843874160e+00 3.843874160e+00 2.36 3.281550632e+00 3.281550632e+00 2.38 2.761336192e+00 2.761336192e+00 2.40 2.280317201e+00 2.280317201e+00 2.42 1.835687382e+00 1.835687382e+00 2.44 1.424777720e+00 1.424777720e+00 2.46 1.045020764e+00 1.045020764e+00 2.48 6.930939292e-01 6.930939292e-01 2.50 3.668880811e-01 3.668880811e-01 2.52 6.487397882e-02 6.487397882e-02 2.54 -2.143495871e-01 -2.143495871e-01 2.56 -4.720851135e-01 -4.720851135e-01 2.58 -7.095628591e-01 -7.095628591e-01 2.60 -9.279578449e-01 -9.279578449e-01 2.62 -1.128395989e+00 -1.128395989e+00 2.64 -1.311959777e+00 -1.311959777e+00 2.66 -1.479679964e+00 -1.479679964e+00 2.68 -1.632539813e+00 -1.632539813e+00 2.70 -1.771472257e+00 -1.771472257e+00 2.72 -1.897357039e+00 -1.897357039e+00 2.74 -2.011016003e+00 -2.011016003e+00 2.76 -2.113207638e+00 -2.113207638e+00 2.78 -2.204634688e+00 -2.204634688e+00 2.80 -2.286092872e+00 -2.286092872e+00 2.82 -2.358066731e+00 -2.358066731e+00 2.84 -2.420924020e+00 -2.420924020e+00 2.86 -2.475032604e+00 -2.475032604e+00 2.88 -2.520774027e+00 -2.520774027e+00 2.90 -2.558557724e+00 -2.558557724e+00 2.92 -2.588833033e+00 -2.588833033e+00 2.94 -2.612095889e+00 -2.612095889e+00 2.96 -2.628887266e+00 -2.628887266e+00 2.98 -2.639785971e+00 -2.639785971e+00 3.00 -2.645397982e+00 -2.645397982e+00 3.02 -2.646318182e+00 -2.646318182e+00 3.04 -2.643101674e+00 -2.643101674e+00 3.06 -2.636247418e+00 -2.636247418e+00 3.08 -2.626185242e+00 -2.626185242e+00 3.10 -2.613278621e+00 -2.613278621e+00 3.12 -2.597830419e+00 -2.597830419e+00 3.14 -2.580100571e+00 -2.580100571e+00 3.16 -2.560308671e+00 -2.560308671e+00 3.18 -2.538650292e+00 -2.538650292e+00 3.20 -2.515301115e+00 -2.515301115e+00 3.22 -2.490419369e+00 -2.490419369e+00 3.24 -2.464145947e+00 -2.464145947e+00 3.26 -2.436603800e+00 -2.436603800e+00 3.28 -2.407917946e+00 -2.407917946e+00 3.30 -2.378217967e+00 -2.378217967e+00 3.32 -2.347569965e+00 -2.347569965e+00 3.34 -2.316053920e+00 -2.316053920e+00 3.36 -2.283740992e+00 -2.283740992e+00 3.38 -2.250697499e+00 -2.250697499e+00 3.40 -2.216988369e+00 -2.216988369e+00 3.42 -2.182680238e+00 -2.182680238e+00 3.44 -2.147840651e+00 -2.147840651e+00 3.46 -2.112538646e+00 -2.112538646e+00 3.48 -2.076839910e+00 -2.076839910e+00 3.50 -2.040798249e+00 -2.040798249e+00 3.52 -2.004466218e+00 -2.004466218e+00 3.54 -1.967895632e+00 -1.967895632e+00 3.56 -1.931136489e+00 -1.931136489e+00 3.58 -1.894236369e+00 -1.894236369e+00 3.60 -1.857240326e+00 -1.857240326e+00 3.62 -1.820191218e+00 -1.820191218e+00 3.64 -1.783130397e+00 -1.783130397e+00 3.66 -1.746098614e+00 -1.746098614e+00 3.68 -1.709136974e+00 -1.709136974e+00 3.70 -1.672287751e+00 -1.672287751e+00 3.72 -1.635594878e+00 -1.635594878e+00 3.74 -1.599103978e+00 -1.599103978e+00 3.76 -1.562861852e+00 -1.562861852e+00 3.78 -1.526915446e+00 -1.526915446e+00 3.80 -1.491310390e+00 -1.491310390e+00 3.82 -1.456089285e+00 -1.456089285e+00 3.84 -1.421289943e+00 -1.421289943e+00 3.86 -1.386943806e+00 -1.386943806e+00 3.88 -1.353074709e+00 -1.353074709e+00 3.90 -1.319698166e+00 -1.319698166e+00 3.92 -1.286820591e+00 -1.286820591e+00 3.94 -1.254442397e+00 -1.254442397e+00 3.96 -1.222554843e+00 -1.222554843e+00 3.98 -1.191144383e+00 -1.191144383e+00 4.00 -1.160193642e+00 -1.160193642e+00 4.02 -1.129683335e+00 -1.129683335e+00 4.04 -1.099594223e+00 -1.099594223e+00 4.06 -1.069908990e+00 -1.069908990e+00 4.08 -1.040613926e+00 -1.040613926e+00 4.10 -1.011698765e+00 -1.011698765e+00 4.12 -9.831641649e-01 -9.831641649e-01 4.14 -9.550119153e-01 -9.550119153e-01 4.16 -9.272520188e-01 -9.272520188e-01 4.18 -8.999000149e-01 -8.999000149e-01 4.20 -8.729756366e-01 -8.729756366e-01 4.22 -8.465010210e-01 -8.465010210e-01 4.24 -8.204986939e-01 -8.204986939e-01 4.26 -7.949896042e-01 -7.949896042e-01 4.28 -7.699914820e-01 -7.699914820e-01 4.30 -7.455177380e-01 -7.455177380e-01 4.32 -7.215770109e-01 -7.215770109e-01 4.34 -6.981733409e-01 -6.981733409e-01 4.36 -6.753068246e-01 -6.753068246e-01 4.38 -6.529745258e-01 -6.529745258e-01 4.40 -6.311713897e-01 -6.311713897e-01 4.42 -6.098909414e-01 -6.098909414e-01 4.44 -5.891256241e-01 -5.891256241e-01 4.46 -5.688667374e-01 -5.688667374e-01 4.48 -5.491040348e-01 -5.491040348e-01 4.50 -5.298251171e-01 -5.298251171e-01 4.52 -5.110148059e-01 -5.110148059e-01 4.54 -4.926546766e-01 -4.926546766e-01 4.56 -4.747229025e-01 -4.747229025e-01 4.58 -4.571945002e-01 -4.571945002e-01 4.60 -4.400420072e-01 -4.400420072e-01 4.62 -4.232365571e-01 -4.232365571e-01 4.64 -4.067492795e-01 -4.067492795e-01 4.66 -3.905529160e-01 -3.905529160e-01 4.68 -3.746235311e-01 -3.746235311e-01 4.70 -3.589421893e-01 -3.589421893e-01 4.72 -3.434964692e-01 -3.434964692e-01 4.74 -3.282816881e-01 -3.282816881e-01 4.76 -3.133017168e-01 -3.133017168e-01 4.78 -2.985692840e-01 -2.985692840e-01 4.80 -2.841042242e-01 -2.841042242e-01 4.82 -2.699386682e-01 -2.699386682e-01 4.84 -2.561060113e-01 -2.561060113e-01 4.86 -2.426455233e-01 -2.426455233e-01 4.88 -2.295982227e-01 -2.295982227e-01 4.90 -2.170043249e-01 -2.170043249e-01 4.92 -2.049007529e-01 -2.049007529e-01 4.94 -1.933189365e-01 -1.933189365e-01 4.96 -1.822830844e-01 -1.822830844e-01 4.98 -1.718090584e-01 -1.718090584e-01 5.00 -1.619038984e-01 -1.619038984e-01 5.02 -1.525659747e-01 -1.525659747e-01 5.04 -1.437856787e-01 -1.437856787e-01 5.06 -1.355465234e-01 -1.355465234e-01 5.08 -1.278265044e-01 -1.278265044e-01 5.10 -1.205995757e-01 -1.205995757e-01 5.12 -1.138371125e-01 -1.138371125e-01 5.14 -1.075092603e-01 -1.075092603e-01 5.16 -1.015860943e-01 -1.015860943e-01 5.18 -9.603856698e-02 -9.603856698e-02 5.20 -9.083921019e-02 -9.083921019e-02 5.22 -8.596260302e-02 -8.596260302e-02 5.24 -8.138561528e-02 -8.138561528e-02 5.26 -7.708746488e-02 -7.708746488e-02 5.28 -7.304962415e-02 -7.304962415e-02 5.30 -6.925561089e-02 -6.925561089e-02 5.32 -6.569070391e-02 -6.569070391e-02 5.34 -6.234132203e-02 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-1.881973577e-02 -1.881973577e-02 5.88 -1.790476547e-02 -1.790476547e-02 5.90 -1.700769712e-02 -1.700769712e-02 5.92 -1.612772709e-02 -1.612772709e-02 5.94 -1.526446446e-02 -1.526446446e-02 5.96 -1.441791410e-02 -1.441791410e-02 5.98 -1.358845639e-02 -1.358845639e-02 6.00 -1.277681514e-02 -1.277681514e-02